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ALLYL-2-(2S)-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-OXY]-3-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPANOATE
SpectraBase Compound ID JHiRW7MwI17
InChI InChI=1S/C35H48N2O22/c1-10-11-48-33(46)23(58-34-31(56-22(9)45)29(54-20(7)43)27(52-18(5)41)25(59-34)14-50-16(3)39)12-36-35(47)37-32-30(55-21(8)44)28(53-19(6)42)26(51-17(4)40)24(57-32)13-49-15(2)38/h10,23-32,34H,1,11-14H2,2-9H3,(H2,36,37,47)/t23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,34-/m1/s1
InChIKey KSUDYSKMDZONAR-HBQIDROQSA-N
Mol Weight 848.8 g/mol
Molecular Formula C35H48N2O22
Exact Mass 848.269871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITZM47W6YEk
Name ALLYL-2-(2S)-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-OXY]-3-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPANOATE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H48N2O22
InChI InChI=1S/C35H48N2O22/c1-10-11-48-33(46)23(58-34-31(56-22(9)45)29(54-20(7)43)27(52-18(5)41)25(59-34)14-50-16(3)39)12-36-35(47)37-32-30(55-21(8)44)28(53-19(6)42)26(51-17(4)40)24(57-32)13-49-15(2)38/h10,23-32,34H,1,11-14H2,2-9H3,(H2,36,37,47)/t23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,34-/m1/s1
InChIKey KSUDYSKMDZONAR-HBQIDROQSA-N
Literature Reference Author C.BOETTCHER,J.SPENGLER,L.HENNIG,F.ALBERICIO,K.BURGER
Literature Reference Citation MH.CHEM.,136,577(2005)
Literature Reference DOI 10.1007/s00706-004-0248-9
Molecular Weight 848.766 g/mol
Solvent CDCl3
Source File Reference UWSI23611